Excitation Energies of UO22+, NUO+, and NUN Based on Equation-of-Motion Coupled-Cluster Theory with Spin–Orbit Coupling

2017 ◽  
Vol 121 (20) ◽  
pp. 3966-3975 ◽  
Author(s):  
Shuo Zhang ◽  
Fan Wang
Keyword(s):  
Equation Of Motion ◽  
Orbit Coupling ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Excitation Energies ◽  
Coupled Cluster Theory ◽  
Cluster Theory

Symmetry exploitation in closed-shell coupled-cluster theory with spin-orbit coupling

2011 ◽  
Vol 135 (3) ◽  
pp. 034115 ◽  
Author(s):  
Zheyan Tu ◽  
Dong-Dong Yang ◽  
Fan Wang ◽  
Jingwei Guo
Keyword(s):  
Closed Shell ◽  
Orbit Coupling ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupled Cluster Theory ◽  
Cluster Theory

Closed-shell coupled-cluster theory with spin-orbit coupling

2008 ◽  
Vol 129 (6) ◽  
pp. 064113 ◽  
Author(s):  
Fan Wang ◽  
Jürgen Gauss ◽  
Christoph van Wüllen
Keyword(s):  
Closed Shell ◽  
Orbit Coupling ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupled Cluster Theory ◽  
Cluster Theory
Sign in / Sign up

Export Citation Format

Share Document